N-[1-(1-adamantyl)ethyl]-2,3-dimethylaniline

C20H29N — CID 43099908

IUPACN-[1-(1-adamantyl)ethyl]-2,3-dimethylaniline
SMILESCc1cccc(NC(C)C23CC4CC(CC(C4)C2)C3)c1C
InChIInChI=1S/C20H29N/c1-13-5-4-6-19(14(13)2)21-15(3)20-10-16-7-17(11-20)9-18(8-16)12-20/h4-6,15-18,21H,7-12H2,1-3H3
InChIKeyOSYRWAPKZXGGRR-UHFFFAOYSA-N
MW283.46 g/mol
LogP5.32
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]-2,3-dimethylaniline

N-[1-(1-adamantyl)ethyl]-2,3-dimethylaniline (PubChem CID 43099908) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2,3-dimethylaniline.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2,3-dimethylaniline
PubChem CID43099908
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC NameN-[1-(1-adamantyl)ethyl]-2,3-dimethylaniline
SMILESCc1cccc(NC(C)C23CC4CC(CC(C4)C2)C3)c1C
InChIInChI=1S/C20H29N/c1-13-5-4-6-19(14(13)2)21-15(3)20-10-16-7-17(11-20)9-18(8-16)12-20/h4-6,15-18,21H,7-12H2,1-3H3
InChIKeyOSYRWAPKZXGGRR-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(1-adamantyl)ethyl]-2,3-dimethylbenzamide
CID 7929646
N-[1-(1-adamantyl)ethyl]-2,6-dichloroaniline
CID 65468370
N-(1-cyclopropylethyl)-2,3-dimethylaniline
CID 43196438
(1S)-1-(1-adamantyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 27088604
N-[1-(1-adamantyl)ethyl]-2,5-dibromoaniline
CID 63446331
N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylaniline
CID 43110752
2-(2,3-dimethylanilino)propan-1-ol
CID 21221760
2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide
CID 7536722
N-[1-(1-adamantyl)ethyl]-2-methylpyrimidin-4-amine
CID 63535938
3-N-(2,3-dimethylphenyl)butane-1,3-diamine
CID 117027018
N-[(1S)-1-(1-adamantyl)ethyl]-4-methylsulfonyl-2-nitroaniline
CID 9283324
N-(2-methylphenyl)adamantan-1-amine
CID 68755177

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2,3-dimethylaniline?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2,3-dimethylaniline (CID 43099908) is N-[1-(1-adamantyl)ethyl]-2,3-dimethylaniline.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2,3-dimethylaniline?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2,3-dimethylaniline is Cc1cccc(NC(C)C23CC4CC(CC(C4)C2)C3)c1C.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2,3-dimethylaniline?
The InChIKey is OSYRWAPKZXGGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-13-5-4-6-19(14(13)2)21-15(3)20-10-16-7-17(11-20)9-18(8-16)12-20/h4-6,15-18,21H,7-12H2,1-3H3.
What are the key properties of N-[1-(1-adamantyl)ethyl]-2,3-dimethylaniline?
N-[1-(1-adamantyl)ethyl]-2,3-dimethylaniline has a molecular weight of 283.46 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2,3-dimethylaniline is sourced from PubChem (CID 43099908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).